6-(3-chloranyl-4-methoxy-phenyl)-4,7-dimethyl-2-prop-2-enyl-purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 6-(3-chloranyl-4-methoxy-phenyl)-4,7-dimethyl-2-prop-2-enyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 2-allyl-6-(3-chloro-4-methoxy-phenyl)-4,7-dimethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(3-chloro-4-methoxyphenyl)-4,7-dimethyl-2-prop-2-enylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(3-chloro-4-methoxyphenyl)-4,7-dimethyl-2-prop-2-enylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 2-allyl-6-(3-chloro-4-methoxy-phenyl)-4,7-dimethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C19H18ClN5O3 MolecularWeight: 399.83092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C3=C(N=C2N1C4=CC(=C(C=C4)OC)Cl)N(C(=O)N(C3=O)CC=C)C

Isomeric SMILES

CC1=CN2C3=C(N=C2N1C4=CC(=C(C=C4)OC)Cl)N(C(=O)N(C3=O)CC=C)C

InChI

InChI=1S/C19H18ClN5O3/c1-5-8-23-17(26)15-16(22(3)19(23)27)21-18-24(15)10-11(2)25(18)12-6-7-14(28-4)13(20)9-12/h5-7,9-10H,1,8H2,2-4H3